Chemical ID: 4414338

Cc1cc(ccc1OCCCNCCN)C(C)(C)C
Chemical ID:
4414338
Name [?]:
N-[3-(2-methyl-4-tert-butyl-phenoxy)propyl]ethane-1,2-diamine
SMILES [?]:
Cc1cc(ccc1OCCCNCCN)C(C)(C)C
InChi [?]:
InChI=1/C16H28N2O/c1-13-12-14(16(2,3)4)6-7-15(13)19-11-5-9-18-10-8-17/h6-7,12,18H,5,8-11,17H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,17,18,19,10,5,6,14,11,13,9,3,2,4,7,16,15,12,8/E:(2,3,4)/rA:19nCCCCCCCOCCCNCCNCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;s12;s13;s14;s4;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H28N2O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:10.2891
Area:512.18
Solvation:-2.51542
Coulombic:-30.1836
Bond Count [?]
All:19
Single:16
Double:3
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:264.406
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:3.18
LogP (Chemaxon):2.77

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